N'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine

C16H26N2 — CID 61440470

IUPACN'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine
SMILESCCCCN(CC(CN)c1ccccc1)C1CC1
InChIInChI=1S/C16H26N2/c1-2-3-11-18(16-9-10-16)13-15(12-17)14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13,17H2,1H3
InChIKeyKNXLKSSMVXRMRO-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.99
Rot. Bonds8

About N'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine

N'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine (PubChem CID 61440470) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine
PubChem CID61440470
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine
SMILESCCCCN(CC(CN)c1ccccc1)C1CC1
InChIInChI=1S/C16H26N2/c1-2-3-11-18(16-9-10-16)13-15(12-17)14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13,17H2,1H3
InChIKeyKNXLKSSMVXRMRO-UHFFFAOYSA-N
XLogP2.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine?
The IUPAC name of N'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine (CID 61440470) is N'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine?
The canonical SMILES for N'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine is CCCCN(CC(CN)c1ccccc1)C1CC1.
What is the InChIKey of N'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine?
The InChIKey is KNXLKSSMVXRMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-3-11-18(16-9-10-16)13-15(12-17)14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13,17H2,1H3.
What are the key properties of N'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine?
N'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 61440470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).